M. Dehdab
Department of Chemistry, University of Sistan and Baluchestan, P. O. Box 98135-674, Zahedan, Iran
[ 1 ] - CORROSION INHIBITION OF COPPER IN ACID MEDIUM BY DRUGS: EXPERIMENTAL AND THEORETICAL APPROACHES
The inhibition performances of nafcillin (III), methicillin (II) and penicillin G (I) on the corrosion of copper in HCl was studied and tested by weight loss, Tafel polarization, SEM, UV-vis spectrophotometry, molecular dynamics method and quantum chemical calculations. Polarization curves indicated that the studied inhibitors act as mixed-type inhibitors. The values of inhibition efficiency an...
[ 2 ] - Computational Evaluation of Corrosion Inhibition of Four Quinoline Derivatives on Carbon Steel in Aqueous Phase
Molecular Dynamics (MD) simulation and Density Functional Theory (DFT) methods have been used to evaluate the efficiency of four quinoline derivatives on corrosion inhibition in the aqueous phase. Some quantum chemical parameters such as hardness (η), electrophilicity (w), polarizability (a), energy of the highest occupied molecular orbital (EHOMO), energy of th...
نویسندگان همکار